1-(3-bromophenyl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-1-one

C14H15BrF3NO — CID 62611994

IUPAC1-(3-bromophenyl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-1-one
SMILESO=C(CCN(CC(F)(F)F)C1CC1)c1cccc(Br)c1
InChIInChI=1S/C14H15BrF3NO/c15-11-3-1-2-10(8-11)13(20)6-7-19(12-4-5-12)9-14(16,17)18/h1-3,8,12H,4-7,9H2
InChIKeyBVXTUDMQDLGNII-UHFFFAOYSA-N
MW350.18 g/mol
LogP4.05
Rot. Bonds6

About 1-(3-bromophenyl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-1-one

1-(3-bromophenyl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-1-one (PubChem CID 62611994) has the molecular formula C14H15BrF3NO and a molecular weight of 350.18 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-1-one
PubChem CID62611994
Molecular FormulaC14H15BrF3NO
Molecular Weight350.18 g/mol
Exact Mass349.03
IUPAC Name1-(3-bromophenyl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-1-one
SMILESO=C(CCN(CC(F)(F)F)C1CC1)c1cccc(Br)c1
InChIInChI=1S/C14H15BrF3NO/c15-11-3-1-2-10(8-11)13(20)6-7-19(12-4-5-12)9-14(16,17)18/h1-3,8,12H,4-7,9H2
InChIKeyBVXTUDMQDLGNII-UHFFFAOYSA-N
XLogP4.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.18
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-1-one
CID 62611835
1-(3-bromophenyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-one
CID 62612328
1-(3-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanone
CID 43794974
1-(3-bromophenyl)-2-[cyclopropyl(2-methylpropyl)amino]ethanone
CID 55001694
1-(3-bromophenyl)-3-[cyclobutylmethyl(methyl)amino]propan-1-one
CID 62862239
3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83126268
1-(3-bromophenyl)-3-[2-(dimethylamino)ethyl-methylamino]propan-1-one
CID 63700510
3-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 60629074
1-(3-bromophenyl)butan-1-one
CID 18417701
3-[cyclopentyl(2-hydroxyethyl)amino]-1-(3-fluorophenyl)propan-1-one
CID 62619727
3-bromo-N-cyclopropyl-N-ethylbenzamide
CID 43243353
3-amino-1-(3-bromophenyl)propan-1-one;hydrochloride
CID 91971197

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-1-one?
The IUPAC name of 1-(3-bromophenyl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-1-one (CID 62611994) is 1-(3-bromophenyl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-1-one.
What is the SMILES notation for 1-(3-bromophenyl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-1-one?
The canonical SMILES for 1-(3-bromophenyl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-1-one is O=C(CCN(CC(F)(F)F)C1CC1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-1-one?
The InChIKey is BVXTUDMQDLGNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrF3NO/c15-11-3-1-2-10(8-11)13(20)6-7-19(12-4-5-12)9-14(16,17)18/h1-3,8,12H,4-7,9H2.
What are the key properties of 1-(3-bromophenyl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-1-one?
1-(3-bromophenyl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-1-one has a molecular weight of 350.18 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-1-one is sourced from PubChem (CID 62611994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).